From 6806823260bdefaf97417833d2b867e6abfc3342 Mon Sep 17 00:00:00 2001
From: Gerardo Tauriello <gerardo.tauriello@unibas.ch>
Date: Tue, 5 Jun 2018 14:46:40 +0200
Subject: [PATCH] Limit compare-structures to peptides.

---
 actions/ost-compare-structures | 22 +++++++++++-----------
 1 file changed, 11 insertions(+), 11 deletions(-)

diff --git a/actions/ost-compare-structures b/actions/ost-compare-structures
index 4723f573b..8b489a0bc 100644
--- a/actions/ost-compare-structures
+++ b/actions/ost-compare-structures
@@ -596,20 +596,20 @@ def _Main():
         c_alpha_only=opts.c_alpha_only,
         fault_tolerant=opts.fault_tolerant,
         selection=opts.reference_selection)
+    # molcking
     if opts.molck:
         ost.LogInfo("#" * 80)
         ost.LogInfo("Cleaning up input with Molck")
-        for i in range(len(references)):
-            _MolckEntity(references[i], opts)
-            references[i] = references[i].CreateFullView()
-        for i in range(len(models)):
-            _MolckEntity(models[i], opts)
-            models[i] = models[i].CreateFullView()
-    else:
-        for i in range(len(references)):
-            references[i] = references[i].CreateFullView()
-        for i in range(len(models)):
-            models[i] = models[i].CreateFullView()
+        for reference in references:
+            _MolckEntity(reference, opts)
+        for model in models:
+            _MolckEntity(model, opts)
+    # restrict to peptides (needed for CheckStructure anyways)
+    for i in range(len(references)):
+        references[i] = references[i].Select("peptide=true")
+    for i in range(len(models)):
+        models[i] = models[i].Select("peptide=true")
+    # structure checking
     if opts.structural_checks:
         ost.LogInfo("#" * 80)
         ost.LogInfo("Performing structural checks")
-- 
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